Structure

InChI Key HIIJZYSUEJYLMX-JZRMKITLSA-N
Smile O=[N+]([O-])c1nccn1CC(O)C[18F]
InChI
InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2/i7-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8FN3O3
Molecular Weight 188.15
AlogP 0.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 81.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2037002
DrugBank DB14830
FDA SRS 8MSY49469G
SureChEMBL SCHEMBL13020421